General Information of the Compound
| Compound ID |
CP0381319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2204270
Show/Hide
|
||||||||||||||||||
| Formula |
C24H26F4N4O3
|
||||||||||||||||||
| Molecular Weight |
494.489
|
||||||||||||||||||
| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F4N4O3/c25-20-5-4-17(11-29-20)23(35)8-6-19(7-9-23)32-13-18(14-32)31-21(33)12-30-22(34)15-2-1-3-16(10-15)24(26,27)28/h1-5,10-11,18-19,35H,6-9,12-14H2,(H,30,34)(H,31,33)/t19-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFMHKFFMKJBKQU-UILWBTOOSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2